Schmidtś "Doppelbindungsregel” のπ電子理論による解釈

The Interpretation based on the π-electron Theory for Suchmidtś "Doppelbindungsregel"

Authors

ENDO, yukichi

Abstract

In order to clarify the essential meaning of Schmidt's "Doppelbindungsregel", the author made some calculation with cycrohexene as an example. Therein molecular orbital method was used the molecular symmetry of cycrohexene was taken into account to solve easily the seculiar equation for molecular orbitals, Wheland's approximation was applied with overlap integrals instead of Hückel's, and thus π-electron bond orders were evaluated foe excited states of this molecule. Therefrom the aforementioned "Regel" was explained with the following results : 1) Cycrohexene is regarded as the system of ten π-electrons on the basis of the hyper-conjugational effect. Four electrons of them in pair occupy non-bonding orbitals and the other six occupy bonding orbititals. States of these six electrons closely resemble those of benzene.2) Rhythm of variation is clearly found from bond to bond in the π-electron bond orders of certain excited states and accordingly in the strength of c-c bonds, so that this molecular is supposed to be readily broken into parts at bonds having the smallest value of their bond orders.

Publisher

鳥取大学学芸学部

Content Type

Departmental Bulletin Paper

ISSN・ISBN

04935608

NCID

AN00174530

Journal Title

鳥取大学学芸学部研究報告. 自然科学

Current Journal Title

The Journal of the Faculty of Education, Tottori University. Natural science